quinoxalin-2-amine

• ChemBase ID: 160473
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c1cccc2c1nc(cn2)N
• Canonical SMILES: Nc1cnc2c(n1)cccc2
• InChI: InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)
• InChIKey: YOWAEZWWQFSEJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoxalin-2-amine
• IUPAC Traditional name: 2-aminoquinoxaline
• Synonyms: 2-Quinoxalinamine; NSC 13155; NSC 44679; Quinoxalin-2-ylamine; 2-Aminoquinoxaline; quinoxalin-2-amine

Database IDs

• CAS Number: 5424-05-5
• MDL Number: MFCD00094018
• PubChem SID: 162254608
• PubChem CID: 224573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0626912
• LogD (pH = 7.4): 1.0645857
• Log P: 1.06461
• Molar Refractivity: 42.4643 cm^3
• Polarizability: 17.22016 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): 1.27

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - A629170

An aminopyrazine analog with potential use as chemiluminescence derivatization reagents for pyruvic acid.

REFERENCES

• Sakata, M. et al.: Luminescence, 14, 365 (1999)